[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone

C25H27N9O3 — CID 11202857

IUPAC[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2cc(C(=O)N3CCOCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C25H27N9O3/c1-16-13-23(31-30-16)28-22-15-19(24(35)33-9-11-36-12-10-33)27-25(29-22)34-8-4-6-20(34)21-14-18(32-37-21)17-5-2-3-7-26-17/h2-3,5,7,13-15,20H,4,6,8-12H2,1H3,(H2,27,28,29,30,31)
InChIKeyGWKCWQBROJQUPY-UHFFFAOYSA-N
MW501.55 g/mol
LogP3.12
Rot. Bonds6

About [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone

[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 11202857) has the molecular formula C25H27N9O3 and a molecular weight of 501.55 g/mol. Its IUPAC name is [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID11202857
Molecular FormulaC25H27N9O3
Molecular Weight501.55 g/mol
Exact Mass501.22
IUPAC Name[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2cc(C(=O)N3CCOCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C25H27N9O3/c1-16-13-23(31-30-16)28-22-15-19(24(35)33-9-11-36-12-10-33)27-25(29-22)34-8-4-6-20(34)21-14-18(32-37-21)17-5-2-3-7-26-17/h2-3,5,7,13-15,20H,4,6,8-12H2,1H3,(H2,27,28,29,30,31)
InChIKeyGWKCWQBROJQUPY-UHFFFAOYSA-N
XLogP3.12
TPSA138.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 11202857) is [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1cc(Nc2cc(C(=O)N3CCOCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1.
What is the InChIKey of [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GWKCWQBROJQUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3/c1-16-13-23(31-30-16)28-22-15-19(24(35)33-9-11-36-12-10-33)27-25(29-22)34-8-4-6-20(34)21-14-18(32-37-21)17-5-2-3-7-26-17/h2-3,5,7,13-15,20H,4,6,8-12H2,1H3,(H2,27,28,29,30,31).
What are the key properties of [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 501.55 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11202857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).